Imtiaz Syed Ahmad (ed.) Modelling of Chemical Process Systems

Elsevier, 2023. — 343 p. — ISBN: 978-0-12-823869-1.Models and simulations are widely being used for design, optimization, fault detection and diagnosis, and various other decision-making purposes. Increasingly, models are developed at different scales and levels, all the way from molecular level to the large-scale process systems scale.Modelling of Chemical Process Systems gives readers a feel for the multiscale modelling. As models have been developed for various applications, a general systematic method for building model has emerged. This book starts with the history of modelling and its usefulness, describing modelling steps in detail. Examples have been chosen carefully from both conventional chemical process systems to contemporary systems, including fuel cell and bioprocesses. Modelling theories are complemented with case studies that explain step-by-step modelling methodologies. This book also introduces the application of machine learning techniques to model chemical process systems. This makes the book an indispensable reference for academics and professionals working in modelling and simulation.Theory and background
An introduction to modeling of chemical process systems
Model equations and modeling methodology
Micro scale modeling
Density functional theory (DFT) models for the desulfurization and extraction of sulfur compounds from fuel oils using ionic liquids
Molecular dynamics simulation in energy and chemical systems
Single-event kinetic modeling of catalytic dewaxing on commercial Pt/ZSM-5
Modeling and simulation of batch and continuous crystallization processes
Macro scale modeling of process systems
Fuel processing systems
Crude to chemicals: The conventional FCC unit still relevant
Machine learning techniques for modeling process systems
Hybrid model for a diesel cloud point soft-sensor
Large-scale process models using deep learning